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S. Bai · SciRah

Researcher profile · Semantic Scholar

S. Bai

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S. Bai — researcher profile on SciRah

h-index: 11
Works: 28
Citations: 513

Most-cited papers

Diamond-like carbon coating under oleic acid lubrication: Evidence for graphene oxide formation in superlow friction
M. de Barros Bouchet, J. Martin, J. Avila, M. Kano +7 more
2017Scientific Reports125 citations Open access
Semantic Scholar
Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation
S. Bai, Tasuku Onodera, R. Nagumo, R. Miura +6 more
201277 citations
Semantic Scholar
Tight-Binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-Like Carbon Coatings: Effect of Tensile Stress.
Yang Wang, Jing-Xiang Xu, Yusuke Ootani, S. Bai +5 more
2017ACS Applied Materials and Interfaces70 citations Open access
Semantic Scholar
Reactive Molecular Dynamics Simulations of Wear and Tribochemical Reactions of Diamond like Carbon Interfaces with Nanoscale Asperities under H2 Gas: Implications for Solid Lubricant Coatings
Yang Wang, Yixin Su, Jing Zhang, Qian Chen +8 more
2020ACS Applied Nano Materials41 citations
Semantic Scholar
Tight-binding quantum chemical molecular dynamics simulations of the low friction mechanism of fluorine-terminated diamond-like carbon films
S. Bai, Hiroki Murabayashi, Y. Kobayashi, Y. Higuchi +4 more
201441 citations
Semantic Scholar
Fate of methanol molecule sandwiched between hydrogen-terminated diamond-like carbon films by tribochemical reactions: tight-binding quantum chemical molecular dynamics study.
Kentaro Hayashi, Seiichiro Sato, S. Bai, Y. Higuchi +5 more
2012Faraday discussions39 citations
Semantic Scholar
Development of a new parameter optimization scheme for a reactive force field based on a machine learning approach
H. Nakata, S. Bai
2018Journal of Computational Chemistry29 citations
Semantic Scholar
Multi-nanoparticle model simulations of the porosity effect on sintering processes in Ni/YSZ and Ni/ScSZ by the molecular dynamics method
Jing-Xiang Xu, S. Bai, Y. Higuchi, N. Ozawa +3 more
201521 citations
Semantic Scholar
Role of OH Termination in Mitigating Friction of Diamond-like Carbon under High Load: A Joint Simulation and Experimental Study.
Yang Wang, Kentaro Hayashi, Yusuke Ootani, S. Bai +7 more
2021Langmuir19 citations
Semantic Scholar
Shock response of condensed-phase RDX: molecular dynamics simulations in conjunction with the MSST method
N. Ge, S. Bai, Jing Chang, Guang-Fu Ji
2018RSC Advances14 citations Open access
Semantic Scholar
Environment-Dependent Tribochemical Reaction and Wear Mechanisms of Diamond-like Carbon: A Reactive Molecular Dynamics Study
Jing Zhang, Yang Wang, Qian Chen, Yixin Su +5 more
2024Carbon13 citations Open access
Semantic Scholar
Generation of “Graphene Arch-Bridge” on a Diamond Surface by Si Doping: A First-Principles Computational Study
S. Bai, Jing-Xiang Xu, Yang Wang, Qi Zhang +6 more
20209 citations
Semantic Scholar
Thermal expansion mechanism of cordierite with titanium or germanium doping based on ab initio molecular dynamics simulation
S. Bai, H. Nakata
2019Journal of The American Ceramic Society5 citations
Semantic Scholar
Accurate meso-scale dynamics by kinetic Monte Carlo simulation via free energy multicanonical sampling: oxygen vacancy diffusion in BaTiO3
H. Nakata, M. Araidai, S. Bai, H. Hirano +1 more
2021Science and Technology of Advanced Materials: Methods4 citations Open access
Semantic Scholar
Influences of Film Deposition Condition on Friction of Diamond-Like Carbon Film: A Theoretical Investigation
Tasuku Onodera, Takanori Kuriaki, S. Bai, R. Nagumo +8 more
20104 citations Open access
Semantic Scholar
Chemical-Reaction-Induced deformation of Body-Centered cubic iron in supercritical water leading to high risk of cleavage Fracture: A reactive Molecular dynamics study
Qian Chen, Jing-Xiang Xu, Yixin Su, S. Uehara +5 more
2022Computational materials science2 citations Open access
Semantic Scholar
Orientation-Dependent Reinforcing Mechanisms of SiC/Carbon Nanotube Composites: A Reactive Molecular Dynamics Simulation Study
Yixin Su, Qian Chen, S. Bai, K. Shirasu +6 more
2025Langmuir1 citations Open access
Semantic Scholar
Tribo-Chemical Reaction of Molybdenum Dithiocarbamate on Diamond-like Carbon Films: Quantum Chemical Molecular Dynamics Simulation
Hiroki Murabayashi, Takeshi Tsuruda, Yang Wang, Y. Kobayashi +5 more
20141 citations Open access
Semantic Scholar
A theoretical study on sintering of Ni nanoparticles in the anode of solid oxide fuel cell under water vapor environment
Jing-Xiang Xu, S. Bai, Y. Higuchi, N. Ozawa +1 more
20162016 IEEE 16th International Conference on Nanotechnology (IEEE-NANO)0 citations
Semantic Scholar
Computational study on low friction mechanism of diamond-like carbon induced by oxidation reaction
S. Bai, Jing-Xiang Xu, Y. Higuchi, N. Ozawa +4 more
20162016 IEEE 16th International Conference on Nanotechnology (IEEE-NANO)0 citations
Semantic Scholar
Kubo Laboratory, Tohoku University
M. Kubo, N. Ozawa, Y. Higuchi, T. Nishimatsu +1 more
20150 citations
Semantic Scholar
On the importance of timescales in the atomistic modelling of friction
S. Bai, Yasunori Niiyama, Y. Kobayashi, Seiichiro Sato +7 more
20140 citations
Semantic Scholar
Nanoscale superlubricity, peeling and fracture at carbon and silicon interfaces
Y. Kobayashi, Hiroki Murabayashi, Seiichiro Sato, S. Bai +5 more
20140 citations
Semantic Scholar
Influence of Nitrogen on Friction Properties of CNx Coatings Based on First-Principles Molecular Dynamics and Tight-Binding Quantum Chemical Molecular Dynamics Methods
Seiichiro Sato, S. Bai, Y. Higuchi, N. Ozawa +3 more
20130 citations
Semantic Scholar
6AM2-C-7 The Structure Transition of Si Doped Diamond Like Carbon Using Computational Simulation
S. Bai, Y. Kobayashi, Seiichiro Sato, Y. Higuchi +3 more
20130 citations Open access
Semantic Scholar
6AM2-C-6 Low Friction Mechanism of Carbon Nitride Based on Tight-Binding Quantum Chemical Molecular Dynamics and First-Principles Molecular Dynamics Simulations
Seiichiro Sato, Y. Kobayashi, S. Bai, Y. Higuchi +3 more
20130 citations Open access
Semantic Scholar
6PM3-PMN-018 計算科学手法を用いた炭化ケイ素の水潤滑における表面特性変化の解明(OS6 マイクロナノトライポロジー,ポスターセッション)
Y. Kobayashi, S. Sato, S. Bai, Yuji Higuchi +3 more
20130 citations Open access
Semantic Scholar
J111026 First-Principles Molecular Dynamics and Tight-Binding Quantum Chemical Molecular Dynamics Studies of Super-Low Friction Mechanism on Carbon Nitride Films Interface
Seiichiro Sato, Kentaro Hayashi, S. Bai, Y. Higuchi +4 more
20120 citations Open access
Semantic Scholar

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